(E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-(3-cyanophenyl)prop-2-enamide

Systemtic Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-(3-cyanophenyl)prop-2-enamide Openeye Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-(3-cyanophenyl)prop-2-enamide CAS Name: (E)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-N-(3-cyanophenyl)-2-propenamide IUPAC Name: (E)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyano-N-(3-cyanophenyl)prop-2-enamide Traditional Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-(3-cyanophenyl)acrylamide Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C21H22N4O/c1-4-5-9-25-15(2)10-18(16(25)3)12-19(14-23)21(26)24-20-8-6-7-17(11-20)13-22/h6-8,10-12H,4-5,9H2,1-3H3,(H,24,26)/b19-12+